============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 16 1.000 29.669 37.770 56.918 -99.200 -91.000 TYR 17 0.840 27.476 39.295 48.650 -99.200 -91.000 TRP 30 1.040 14.433 40.550 53.612 -99.200 -91.000 TRP6 30 1.020 12.404 39.463 53.056 -99.200 -91.000 TYR 35 0.840 14.946 48.119 44.024 -99.200 -91.000 HIS 42 0.900 6.503 39.283 39.938 -99.200 -91.000 PHE 46 1.000 10.338 33.095 51.121 -99.200 -91.000 PHE 51 1.000 15.689 34.951 51.490 -99.200 -91.000 TRP 54 1.040 12.981 28.665 51.096 -99.200 -91.000 TRP6 54 1.020 14.204 29.700 49.352 -99.200 -91.000 TYR 55 0.840 20.144 32.664 50.315 -99.200 -91.000 HIS 62 0.900 24.455 21.655 46.684 -99.200 -91.000 TYR 65 0.840 14.546 25.191 38.103 -99.200 -91.000 PHE 73 1.000 25.930 31.091 39.122 -99.200 -91.000 HIS 77 0.900 35.613 33.727 38.922 -99.200 -91.000 TYR 84 0.840 29.669 45.915 41.334 -99.200 -91.000 HIS 85 0.900 32.913 36.143 41.511 -99.200 -91.000 PHE 97 1.000 1.550 33.140 33.861 -99.200 -91.000 TYR 100 0.840 10.831 36.708 44.590 -99.200 -91.000 PHE 110 1.000 21.141 36.827 37.058 -99.200 -91.000 PHE 120 1.000 12.223 26.724 28.103 -99.200 -91.000 TRP 136 1.040 26.472 23.862 35.683 -99.200 -91.000 TRP6 136 1.020 27.089 25.557 34.143 -99.200 -91.000 HIS 137 0.900 27.525 16.756 37.263 -99.200 -91.000